Basic information
- Standard SMILES
O=S(=O)(OCC(O)CO)c1ccc2ccccc2c1- InChIKey
VEPPEFPKOHJPTA-UHFFFAOYSA-N- Molecular formula
- C13H14O5S
- Average molar mass
- 282.31 g/mol
- Monoisotopic mass
- 282.05619472
Names & identifiers
- Preferred name
- 2,3-Dihydroxypropyl naphthalene-2-sulfonate
- IUPAC
- 2,3-dihydroxypropyl naphthalene-2-sulfonate
Names & synonyms
SCHEMBL9488925
Database identifiers
- PubChem CID
- 57270141
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
Related reactions
1 records
Compound notes
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